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Tinoridine hydrochloride

CAT: 1568-C17739Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C17739Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25913-34-2
Synonyms
Y-3642 HCl
SKU
C17739-25mg
Target
Immunology & Inflammation related
Applications
Immunology & Inflammation
Smiles
CCOC (=O) C1=C (SC2=C1CCN (C2) CC3=CC=CC=C3) N.Cl
Molecular Formula
C17H21ClN2O2S
Additionnal Information
Tinoridine hydrochloride (Y-3642) is a non-steroidal anti-inflammatory drug with a potent antiperoxidative activity.
Storage Conditions
3 years -20°C powder

Chemical Information

Tinoridine Hydrochloride

Tinoridine hydrochloride is a thienopyridine.

CAS Number25913-34-2
PubChem CID134896
IUPAC Nameethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity387
SMILES
CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N.Cl
InChI
InChI=1S/C17H20N2O2S.ClH/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11,18H2,1H3;1H
InChIKey
LMAQHEGFQZGATE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tinoridine Hydrochloride
CAS: 25913-34-2
CID: 134896
Formula: C17H21ClN2O2S
MW: 352.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass352.1012268
Monoisotopic Mass352.1012268
Topological Polar Surface Area83.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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